Geometry & MOs

Info

ID:	197918
PubChem CID:	79016236
Reduced:	FNOCl2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	215.075785
ΔH_f, kcal/mol:	-100.35
Dipole, Da:	3.67
IP(EA), eV:	-9.58(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[3-(difluoromethyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)N(CCCl)CCCl)F

DOS

IR

Vibrations